AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for 2-methoxy-6-polyprenyl-1,4-benzoquinol methylase, mitochondrial

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q5HYK3

UPID:

COQ5_HUMAN

Alternative names:

Ubiquinone biosynthesis methyltransferase COQ5

Alternative UPACC:

Q5HYK3; B2RDU9; B3GK62; B4DEJ4; Q32Q28; Q53HH0; Q96LV1; Q9BSP8

Background:

Ubiquinone biosynthesis methyltransferase COQ5, also known as 2-methoxy-6-polyprenyl-1,4-benzoquinol methylase, mitochondrial, plays a crucial role in the biosynthesis of coenzyme Q10. This enzyme catalyzes the conversion of 2-polyprenyl-6-methoxy-1,4-benzoquinol (DDMQH2) to 2-polyprenyl-3-methyl-6-methoxy-1,4-benzoquinol (DMQH2), a key step in the production of coenzyme Q10.

Therapeutic significance:

Mutations in COQ5 have been linked to Coenzyme Q10 deficiency, primary, 9, a disorder manifesting as cerebellar ataxia, seizures, and cognitive disability. Understanding the role of Ubiquinone biosynthesis methyltransferase COQ5 could open doors to potential therapeutic strategies for this condition.

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